REMARK Name = BDB063157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.950 -1.753 1.437 0.00 0.00 +0.008 A ATOM 2 C LIG 1 0.097 -0.867 0.743 0.00 0.00 +0.065 A ATOM 3 C LIG 1 -0.920 -1.333 -0.118 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -1.047 -2.708 -0.322 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.209 -3.602 0.347 0.00 0.00 +0.049 A ATOM 6 C LIG 1 0.763 -3.125 1.224 0.00 0.00 +0.121 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.252 0.598 0.895 0.00 0.00 +0.164 C ATOM 8 O LIG 1 -0.077 1.148 1.942 0.00 0.00 -0.292 OA ATOM 9 C LIG 1 0.803 1.356 -0.283 0.00 0.00 +0.092 C ENDBRANCH 2 7 BRANCH 6 10 ATOM 10 O LIG 1 1.552 -4.013 1.900 0.00 0.00 -0.506 OA ATOM 11 H LIG 1 1.258 -4.919 1.704 0.00 0.00 +0.292 HD ENDBRANCH 6 10 BRANCH 1 12 ATOM 12 C LIG 1 2.031 -1.277 2.388 0.00 0.00 +0.044 C BRANCH 12 13 ATOM 13 C LIG 1 3.468 -1.520 1.902 0.00 0.00 +0.040 C BRANCH 13 18 ATOM 14 C LIG 1 4.616 1.440 -0.213 0.00 0.00 +0.162 A ATOM 15 C LIG 1 4.564 0.870 -1.490 0.00 0.00 +0.158 A ATOM 16 C LIG 1 4.167 -0.446 -1.685 0.00 0.00 +0.049 A ATOM 17 C LIG 1 3.812 -1.220 -0.583 0.00 0.00 +0.007 A ATOM 18 C LIG 1 3.857 -0.678 0.710 0.00 0.00 -0.043 A ATOM 19 C LIG 1 4.261 0.658 0.887 0.00 0.00 +0.053 A BRANCH 14 21 ATOM 20 C LIG 1 5.027 3.380 1.097 0.00 0.00 +0.277 C ATOM 21 O LIG 1 5.016 2.752 -0.180 0.00 0.00 -0.491 OA ENDBRANCH 14 21 BRANCH 15 22 ATOM 22 O LIG 1 4.903 1.613 -2.589 0.00 0.00 -0.503 OA ATOM 23 H LIG 1 5.163 2.484 -2.231 0.00 0.00 +0.292 HD ENDBRANCH 15 22 ENDBRANCH 13 18 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 O LIG 1 -1.751 -0.384 -0.655 0.00 0.00 -0.460 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.693 -0.759 -1.667 0.00 0.00 +0.339 C ATOM 26 C LIG 1 -3.960 -1.433 -1.069 0.00 0.00 +0.214 C ATOM 27 C LIG 1 -5.182 -0.518 -1.133 0.00 0.00 +0.180 C ATOM 28 C LIG 1 -4.768 0.885 -0.728 0.00 0.00 +0.177 C ATOM 29 C LIG 1 -3.784 1.421 -1.780 0.00 0.00 +0.179 C ATOM 30 O LIG 1 -3.020 0.407 -2.445 0.00 0.00 -0.331 OA BRANCH 26 31 ATOM 31 O LIG 1 -4.277 -2.656 -1.762 0.00 0.00 -0.383 OA ATOM 32 H LIG 1 -5.154 -2.922 -1.419 0.00 0.00 +0.210 HD ENDBRANCH 26 31 BRANCH 27 33 ATOM 33 O LIG 1 -6.194 -1.026 -0.249 0.00 0.00 -0.386 OA ATOM 34 H LIG 1 -6.805 -0.270 -0.117 0.00 0.00 +0.210 HD ENDBRANCH 27 33 BRANCH 28 35 ATOM 35 O LIG 1 -5.932 1.716 -0.625 0.00 0.00 -0.386 OA ATOM 36 H LIG 1 -5.591 2.627 -0.494 0.00 0.00 +0.210 HD ENDBRANCH 28 35 BRANCH 29 37 ATOM 37 C LIG 1 -2.897 2.518 -1.182 0.00 0.00 +0.190 C BRANCH 37 38 ATOM 38 O LIG 1 -3.710 3.573 -0.666 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -3.096 4.239 -0.304 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 14